Vitas-M small molecule compound
methyl 3-{3-hydroxy-4-oxo-6-[(phenylsulfanyl)methyl]-4H-pyran-2-yl}-3-(pyrazolo[1,5-a]pyrimidin-3-yl)propanoate
Catalog ID
STL318590
SMILES COC(=O)CC(c1cnn2c1nccc2)c1oc(CSc2ccccc2)cc(=O)c1O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H19N3O5S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5S/c1-29-19(27)11-16(17-12-24-25-9-5-8-23-22(17)25)21-20(28)18(26)10-14(30-21)13-31-15-6-3-2-4-7-15/h2-10,12,16,28H,11,13H2,1H3InChIKey
VBALDIHXFOYZEA-UHFFFAOYSA-NSynonyms
1435988-81-01435988810
COC(=O)CC(C1=C2N=CC=CN2N=C1)C3=C(C(=O)C=C(O3)CSC4=CC=CC=C4)O
InChI=1SC22H19N3O5Sc12919(27)1116(171224259582322(17)25)2120(28)18(26)1014(3021)1331156324715h210121628H1113H21H3
methyl3(3hydroxy4oxo6((phenylsulfanyl)methyl)4Hpyran2yl)3(pyrazolo(15a)pyrimidin3yl)propanoate
methyl3(3hydroxy4oxo6((phenylthio)methyl)4Hpyran2yl)3(pyrazolo(15a)pyrimidin3yl)propanoate
methyl3(3hydroxy4oxo6(phenylsulfanylmethyl)pyran2yl)3pyrazolo(15a)pyrimidin3ylpropanoate
MFCD23139991
ZINC000095479419
ZINC000095479420
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